ethyl 4-{[benzyl(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[benzyl(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[benzyl(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0254 |
| Compound Name: | ethyl 4-{[benzyl(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C23 H30 N4 O4 S |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccccc2)S(c2c(C)nn(C)c2C)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7787 |
| logD: | 2.7787 |
| logSw: | -3.1962 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.917 |
| InChI Key: | WXIPIQCYJIMLBG-UHFFFAOYSA-N |